ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H18N2O3S3 MolecularWeight: 454.58492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18N2O3S3/c1-2-27-21(26)19-15(14-8-4-3-5-9-14)12-28-20(19)24-18(25)13-29-22-23-16-10-6-7-11-17(16)30-22/h3-12H,2,13H2,1H3,(H,24,25)