methyl (Z)-4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-3-(4-nitrophenyl)carbonyl-2-oxidanylidene-but-3-enoate

Systemtic Name: methyl (Z)-4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-3-(4-nitrophenyl)carbonyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl (Z)-4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-3-(4-nitrobenzoyl)-2-oxo-but-3-enoate CAS Name: (Z)-4-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-[(4-nitrophenyl)-oxomethyl]-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-3-(4-nitrobenzoyl)-2-oxobut-3-enoate Traditional Name: (Z)-4-(homoveratrylthiocarbamoylamino)-2-keto-3-(4-nitrobenzoyl)but-3-enoic acid methyl ester Formula: C23H23N3O8S MolecularWeight: 501.50902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC=C(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N/C=C(/C(=O)C2=CC=C(C=C2)[N+](=O)[O-])\C(=O)C(=O)OC)OC

InChI

InChI=1S/C23H23N3O8S/c1-32-18-9-4-14(12-19(18)33-2)10-11-24-23(35)25-13-17(21(28)22(29)34-3)20(27)15-5-7-16(8-6-15)26(30)31/h4-9,12-13H,10-11H2,1-3H3,(H2,24,25,35)/b17-13-