ethyl 4-[4-azanyl-5-[(4-ethoxyphenyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate

Systemtic Name: ethyl 4-[4-azanyl-5-[(4-ethoxyphenyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Openeye Name: ethyl 4-[4-amino-5-[(4-ethoxyphenyl)carbamoyl]-2-thioxo-thiazol-3-yl]benzoate CAS Name: 4-[4-amino-5-[(4-ethoxyanilino)-oxomethyl]-2-sulfanylidene-3-thiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-5-[(4-ethoxyphenyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Traditional Name: 4-[4-amino-5-(p-phenetylcarbamoyl)-2-thioxo-4-thiazolin-3-yl]benzoic acid ethyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(N(C(=S)S2)C3=CC=C(C=C3)C(=O)OCC)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(N(C(=S)S2)C3=CC=C(C=C3)C(=O)OCC)N

InChI

InChI=1S/C21H21N3O4S2/c1-3-27-16-11-7-14(8-12-16)23-19(25)17-18(22)24(21(29)30-17)15-9-5-13(6-10-15)20(26)28-4-2/h5-12H,3-4,22H2,1-2H3,(H,23,25)