methyl 2-[(3-chloranyl-6-methyl-1-benzothiophen-2-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-chloranyl-6-methyl-1-benzothiophen-2-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-chloro-6-methyl-benzothiophene-2-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-6-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(3-chloro-6-methyl-benzothiophene-2-carbonyl)amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H16ClNO3S2 MolecularWeight: 441.95034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OC)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OC)Cl

InChI

InChI=1S/C22H16ClNO3S2/c1-12-8-9-14-16(10-12)29-19(18(14)23)20(25)24-21-17(22(26)27-2)15(11-28-21)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,24,25)