ethyl 4-[4-azanyl-5-[(2,6-dimethylphenyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate

Systemtic Name: ethyl 4-[4-azanyl-5-[(2,6-dimethylphenyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Openeye Name: ethyl 4-[4-amino-5-[(2,6-dimethylphenyl)carbamoyl]-2-thioxo-thiazol-3-yl]benzoate CAS Name: 4-[4-amino-5-[(2,6-dimethylanilino)-oxomethyl]-2-sulfanylidene-3-thiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-5-[(2,6-dimethylphenyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Traditional Name: 4-[4-amino-5-[(2,6-dimethylphenyl)carbamoyl]-2-thioxo-4-thiazolin-3-yl]benzoic acid ethyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NC3=C(C=CC=C3C)C)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NC3=C(C=CC=C3C)C)N

InChI

InChI=1S/C21H21N3O3S2/c1-4-27-20(26)14-8-10-15(11-9-14)24-18(22)17(29-21(24)28)19(25)23-16-12(2)6-5-7-13(16)3/h5-11H,4,22H2,1-3H3,(H,23,25)