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

Systemtic Name: ethyl 4-[4-azanyl-5-(prop-2-enylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Openeye Name: ethyl 4-[5-(allylcarbamoyl)-4-amino-2-thioxo-thiazol-3-yl]benzoate CAS Name: 4-[4-amino-5-[oxo-(prop-2-enylamino)methyl]-2-sulfanylidene-3-thiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-5-(prop-2-enylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Traditional Name: 4-[5-(allylcarbamoyl)-4-amino-2-thioxo-4-thiazolin-3-yl]benzoic acid ethyl ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S2/c1-3-9-18-14(20)12-13(17)19(16(23)24-12)11-7-5-10(6-8-11)15(21)22-4-2/h3,5-8H,1,4,9,17H2,2H3,(H,18,20)