3-[(3-methoxyphenyl)methylsulfanyl]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(3-methoxyphenyl)methylsulfanyl]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(isobutylcarbamoylamino)-3-[(3-methoxyphenyl)methylsulfanyl]isothiazole-4-carboxylic acid CAS Name: 3-[(3-methoxyphenyl)methylthio]-5-[[(2-methylpropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(3-methoxyphenyl)methylsulfanyl]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(isobutylcarbamoylamino)-3-(m-anisylthio)isothiazole-4-carboxylic acid Formula: C17H21N3O4S2 MolecularWeight: 395.49634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC1=C(C(=NS1)SCC2=CC(=CC=C2)OC)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC1=C(C(=NS1)SCC2=CC(=CC=C2)OC)C(=O)O

InChI

InChI=1S/C17H21N3O4S2/c1-10(2)8-18-17(23)19-14-13(16(21)22)15(20-26-14)25-9-11-5-4-6-12(7-11)24-3/h4-7,10H,8-9H2,1-3H3,(H,21,22)(H2,18,19,23)