[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(o-anisoylamino)butyric acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H24N2O7S/c1-28-17-6-4-3-5-15(17)21(26)24-16(9-10-32-2)22(27)29-12-20(25)23-14-7-8-18-19(11-14)31-13-30-18/h3-8,11,16H,9-10,12-13H2,1-2H3,(H,23,25)(H,24,26)