ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)amino]ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)amino]ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]amino]ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-[[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]amino]ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[[2-pyrrolidino-2-(2-thienyl)ethyl]amino]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCC(C2=CC=CS2)N3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCC(C2=CC=CS2)N3CCCC3)C

InChI

InChI=1S/C21H29N3O3S/c1-4-27-21(26)17-12-15(2)24(16(17)3)14-20(25)22-13-18(19-8-7-11-28-19)23-9-5-6-10-23/h7-8,11-12,18H,4-6,9-10,13-14H2,1-3H3,(H,22,25)