methyl 2-[4-[5-tert-butyl-2-[(4-methyl-3-pyridin-3-yl-phenyl)carbamoylamino]thiophen-3-yl]carbonyl-3,3-dimethyl-2-oxidanylidene-piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[5-tert-butyl-2-[(4-methyl-3-pyridin-3-yl-phenyl)carbamoylamino]thiophen-3-yl]carbonyl-3,3-dimethyl-2-oxidanylidene-piperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-[5-tert-butyl-2-[[4-methyl-3-(3-pyridyl)phenyl]carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxo-piperazin-1-yl]acetate CAS Name: 2-[4-[[5-tert-butyl-2-[[[4-methyl-3-(3-pyridinyl)anilino]-oxomethyl]amino]-3-thiophenyl]-oxomethyl]-3,3-dimethyl-2-oxo-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[5-tert-butyl-2-[(4-methyl-3-pyridin-3-ylphenyl)carbamoylamino]thiophene-3-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate Traditional Name: 2-[4-[5-tert-butyl-2-[[4-methyl-3-(3-pyridyl)phenyl]carbamoylamino]thiophene-3-carbonyl]-2-keto-3,3-dimethyl-piperazino]acetic acid methyl ester Formula: C31H37N5O5S MolecularWeight: 591.72098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=C(C=C(S2)C(C)(C)C)C(=O)N3CCN(C(=O)C3(C)C)CC(=O)OC)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=C(C=C(S2)C(C)(C)C)C(=O)N3CCN(C(=O)C3(C)C)CC(=O)OC)C4=CN=CC=C4

InChI

InChI=1S/C31H37N5O5S/c1-19-10-11-21(15-22(19)20-9-8-12-32-17-20)33-29(40)34-26-23(16-24(42-26)30(2,3)4)27(38)36-14-13-35(18-25(37)41-7)28(39)31(36,5)6/h8-12,15-17H,13-14,18H2,1-7H3,(H2,33,34,40)