methyl 5-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C17H11ClN2O3S2 MolecularWeight: 390.86384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)OC

InChI

InChI=1S/C17H11ClN2O3S2/c1-8-10(7-19)16(25-13(8)17(22)23-2)20-15(21)14-12(18)9-5-3-4-6-11(9)24-14/h3-6H,1-2H3,(H,20,21)