ethyl 2-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-(4H-3,1-benzothiazin-2-ylthio)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4H-3,1-benzothiazin-2-ylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H16N2O3S3 MolecularWeight: 392.51554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CSC2=NC3=CC=CC=C3CS2

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CSC2=NC3=CC=CC=C3CS2

InChI

InChI=1S/C17H16N2O3S3/c1-2-22-16(21)12-7-8-23-15(12)19-14(20)10-25-17-18-13-6-4-3-5-11(13)9-24-17/h3-8H,2,9-10H2,1H3,(H,19,20)