2-acetamido-3-(3-acetamido-4-methoxycarbonyl-phenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid

Systemtic Name: 2-acetamido-3-(3-acetamido-4-methoxycarbonyl-phenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid Openeye Name: 2-acetamido-3-(3-acetamido-4-methoxycarbonyl-phenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid CAS Name: 2-acetamido-3-(3-acetamido-4-methoxycarbonylphenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid IUPAC Name: 2-acetamido-3-(3-acetamido-4-methoxycarbonylphenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid Traditional Name: 2-acetamido-3-(3-acetamido-4-carbomethoxy-phenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid Formula: C28H31N5O6S MolecularWeight: 565.64064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C2=C(C=CC(=C2NC(=O)C)C(=O)O)C3=NN(C(=NC4CCCCC4)S3)C)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C2=C(C=CC(=C2NC(=O)C)C(=O)O)C3=NN(C(=NC4CCCCC4)S3)C)C(=O)OC

InChI

InChI=1S/C28H31N5O6S/c1-15(34)29-22-14-17(10-11-19(22)27(38)39-4)23-20(12-13-21(26(36)37)24(23)30-16(2)35)25-32-33(3)28(40-25)31-18-8-6-5-7-9-18/h10-14,18H,5-9H2,1-4H3,(H,29,34)(H,30,35)(H,36,37)