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

Systemtic Name: ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C16H14N2O3S3 MolecularWeight: 378.48896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H14N2O3S3/c1-2-21-15(20)10-7-8-22-14(10)18-13(19)9-23-16-17-11-5-3-4-6-12(11)24-16/h3-8H,2,9H2,1H3,(H,18,19)