ethyl 4-[[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbonylcarbamoylamino]benzoate

Systemtic Name: ethyl 4-[[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbonylcarbamoylamino]benzoate Openeye Name: ethyl 4-[[3,5-bis(methylsulfanyl)isothiazole-4-carbonyl]carbamoylamino]benzoate CAS Name: 4-[[[[[3,5-bis(methylthio)-4-isothiazolyl]-oxomethyl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3,5-bis(methylsulfanyl)-1,2-thiazole-4-carbonyl]carbamoylamino]benzoate Traditional Name: 4-[[3,5-bis(methylthio)isothiazole-4-carbonyl]carbamoylamino]benzoic acid ethyl ester Formula: C16H17N3O4S3 MolecularWeight: 411.51888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC(=O)C2=C(SN=C2SC)SC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC(=O)C2=C(SN=C2SC)SC

InChI

InChI=1S/C16H17N3O4S3/c1-4-23-14(21)9-5-7-10(8-6-9)17-16(22)18-12(20)11-13(24-2)19-26-15(11)25-3/h5-8H,4H2,1-3H3,(H2,17,18,20,22)