ethyl 2-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[2-(1,3-benzothiazol-2-yl)pyrrolidino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O3S2/c1-2-26-20(25)13-9-11-27-18(13)22-17(24)12-23-10-5-7-15(23)19-21-14-6-3-4-8-16(14)28-19/h3-4,6,8-9,11,15H,2,5,7,10,12H2,1H3,(H,22,24)