methyl 5-[[2-[(2-methoxy-5-methyl-phenyl)sulfonylamino]-3-phenyl-propanoyl]amino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[2-[(2-methoxy-5-methyl-phenyl)sulfonylamino]-3-phenyl-propanoyl]amino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(2-methoxy-5-methyl-phenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(2-methoxy-5-methyl-phenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C27H26N2O6S2 MolecularWeight: 538.63514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC

InChI

InChI=1S/C27H26N2O6S2/c1-17-9-11-22(34-2)25(13-17)37(32,33)29-21(14-18-7-5-4-6-8-18)26(30)28-20-10-12-23-19(15-20)16-24(36-23)27(31)35-3/h4-13,15-16,21,29H,14H2,1-3H3,(H,28,30)