benzene; ethyl 2-[[5-chloranyl-4-(phenylsulfonyl)-1,3-thiazol-2-yl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: benzene; ethyl 2-[[5-chloranyl-4-(phenylsulfonyl)-1,3-thiazol-2-yl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: benzene; ethyl 2-[[4-(benzenesulfonyl)-5-chloro-thiazol-2-yl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: benzene; 2-[[4-(benzenesulfonyl)-5-chloro-2-thiazolyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: benzene; ethyl 2-[[4-(benzenesulfonyl)-5-chloro-1,3-thiazol-2-yl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: benzene; 2-[(4-besyl-5-chloro-thiazol-2-yl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C50H40Cl2N4O8S6 MolecularWeight: 1088.1706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=NC(=C(S3)Cl)S(=O)(=O)C4=CC=CC=C4.CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=NC(=C(S3)Cl)S(=O)(=O)C4=CC=CC=C4.C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=NC(=C(S3)Cl)S(=O)(=O)C4=CC=CC=C4.CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=NC(=C(S3)Cl)S(=O)(=O)C4=CC=CC=C4.C1=CC=CC=C1

InChI

InChI=1S/2C22H17ClN2O4S3.C6H6/c2*1-2-29-21(26)17-16(14-9-5-3-6-10-14)13-30-19(17)24-22-25-20(18(23)31-22)32(27,28)15-11-7-4-8-12-15;1-2-4-6-5-3-1/h2*3-13H,2H2,1H3,(H,24,25);1-6H