ethyl 4-[[4-oxidanylidene-3-(2-phenylethanoylamino)-2-sulfanylidene-1,3-thiazolidin-5-yl]methylamino]benzoate

Systemtic Name: ethyl 4-[[4-oxidanylidene-3-(2-phenylethanoylamino)-2-sulfanylidene-1,3-thiazolidin-5-yl]methylamino]benzoate Openeye Name: ethyl 4-[[4-oxo-3-[(2-phenylacetyl)amino]-2-thioxo-thiazolidin-5-yl]methylamino]benzoate CAS Name: 4-[[4-oxo-3-[(1-oxo-2-phenylethyl)amino]-2-sulfanylidene-5-thiazolidinyl]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-oxo-3-[(2-phenylacetyl)amino]-2-sulfanylidene-1,3-thiazolidin-5-yl]methylamino]benzoate Traditional Name: 4-[[4-keto-3-[(2-phenylacetyl)amino]-2-thioxo-thiazolidin-5-yl]methylamino]benzoic acid ethyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC2C(=O)N(C(=S)S2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC2C(=O)N(C(=S)S2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S2/c1-2-28-20(27)15-8-10-16(11-9-15)22-13-17-19(26)24(21(29)30-17)23-18(25)12-14-6-4-3-5-7-14/h3-11,17,22H,2,12-13H2,1H3,(H,23,25)