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

Systemtic Name: 8-[[3-[1-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-1-oxopropan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-1-methyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C34H28N2O6S2 MolecularWeight: 624.72592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C34H28N2O6S2/c1-3-42-34(41)29-27(21-10-5-4-6-11-21)19-43-32(29)36-30(37)20(2)44-24-15-9-14-23(18-24)35-31(38)25-16-7-12-22-13-8-17-26(28(22)25)33(39)40/h4-20H,3H2,1-2H3,(H,35,38)(H,36,37)(H,39,40)