methyl 5-methyl-4-phenyl-2-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-[(2-isopropoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[1-oxo-2-[4-[(2-propan-2-yloxyphenyl)methyl]-1-piperazinyl]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-isopropoxybenzyl)piperazino]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C29H35N3O4S MolecularWeight: 521.6709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3OC(C)C)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3OC(C)C)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C29H35N3O4S/c1-20(2)36-24-13-9-8-12-23(24)18-31-14-16-32(17-15-31)19-25(33)30-28-27(29(34)35-4)26(21(3)37-28)22-10-6-5-7-11-22/h5-13,20H,14-19H2,1-4H3,(H,30,33)