8-[[3-[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxo-1-phenylethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-1-phenyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C39H30N2O6S2 MolecularWeight: 686.7953

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

InChI

InChI=1S/C39H30N2O6S2/c1-2-47-39(46)33-31(24-12-5-3-6-13-24)23-48-37(33)41-36(43)34(26-14-7-4-8-15-26)49-28-19-11-18-27(22-28)40-35(42)29-20-9-16-25-17-10-21-30(32(25)29)38(44)45/h3-23,34H,2H2,1H3,(H,40,42)(H,41,43)(H,44,45)