ethyl 3-[2-[2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]oxyethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-[2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]oxyethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoyl]oxyacetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutoxy]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoyl]oxyacetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[4-(methylthio)-2-(o-anisoylamino)butanoyl]oxyacetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C28H30N2O7S2 MolecularWeight: 570.677

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C28H30N2O7S2/c1-4-36-28(34)25-21(16-23(39-25)18-10-6-5-7-11-18)29-24(31)17-37-27(33)20(14-15-38-3)30-26(32)19-12-8-9-13-22(19)35-2/h5-13,16,20H,4,14-15,17H2,1-3H3,(H,29,31)(H,30,32)