3-ethylsulfanyl-5-[(phenylmethyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-ethylsulfanyl-5-[(phenylmethyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(benzylcarbamoylamino)-3-ethylsulfanyl-isothiazole-4-carboxylic acid CAS Name: 3-(ethylthio)-5-[[oxo-[(phenylmethyl)amino]methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 5-(benzylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(benzylcarbamoylamino)-3-(ethylthio)isothiazole-4-carboxylic acid Formula: C14H15N3O3S2 MolecularWeight: 337.4172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NSC(=C1C(=O)O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCSC1=NSC(=C1C(=O)O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C14H15N3O3S2/c1-2-21-12-10(13(18)19)11(22-17-12)16-14(20)15-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,18,19)(H2,15,16,20)