ethyl 5-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(4H-3,1-benzothiazin-2-ylthio)-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(4H-3,1-benzothiazin-2-ylthio)acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC3=CC=CC=C3CS2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC3=CC=CC=C3CS2)C

InChI

InChI=1S/C18H18N2O3S3/c1-3-23-17(22)16-11(2)8-15(26-16)20-14(21)10-25-18-19-13-7-5-4-6-12(13)9-24-18/h4-8H,3,9-10H2,1-2H3,(H,20,21)