methyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid methyl ester Formula: C22H18N2O4S3 MolecularWeight: 470.58432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18N2O4S3/c1-27-14-9-7-13(8-10-14)15-11-29-20(19(15)21(26)28-2)24-18(25)12-30-22-23-16-5-3-4-6-17(16)31-22/h3-11H,12H2,1-2H3,(H,24,25)