methyl 3-[4-azanyl-5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate

Systemtic Name: methyl 3-[4-azanyl-5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Openeye Name: methyl 3-[4-amino-5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-2-thioxo-thiazol-3-yl]benzoate CAS Name: 3-[4-amino-5-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-2-sulfanylidene-3-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-amino-5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Traditional Name: 3-[4-amino-5-(homoveratrylcarbamoyl)-2-thioxo-4-thiazolin-3-yl]benzoic acid methyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(C(=S)S2)C3=CC=CC(=C3)C(=O)OC)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(C(=S)S2)C3=CC=CC(=C3)C(=O)OC)N)OC

InChI

InChI=1S/C22H23N3O5S2/c1-28-16-8-7-13(11-17(16)29-2)9-10-24-20(26)18-19(23)25(22(31)32-18)15-6-4-5-14(12-15)21(27)30-3/h4-8,11-12H,9-10,23H2,1-3H3,(H,24,26)