ethyl 2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O3S2/c1-4-27-20(25)17-12(2)13(3)28-19(17)23-21(26)24-11-7-9-15(24)18-22-14-8-5-6-10-16(14)29-18/h5-6,8,10,15H,4,7,9,11H2,1-3H3,(H,23,26)