3-[(5-chloranylthiophen-2-yl)methylsulfanyl]-5-(cyclopropylmethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(5-chloranylthiophen-2-yl)methylsulfanyl]-5-(cyclopropylmethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(5-chloro-2-thienyl)methylsulfanyl]-5-(cyclopropylmethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(5-chloro-2-thiophenyl)methylthio]-5-[[(cyclopropylmethylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-5-(cyclopropylmethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(5-chloro-2-thienyl)methylthio]-5-(cyclopropylmethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C14H14ClN3O3S3 MolecularWeight: 403.92726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)NC2=C(C(=NS2)SCC3=CC=C(S3)Cl)C(=O)O

Isomeric SMILES

C1CC1CNC(=O)NC2=C(C(=NS2)SCC3=CC=C(S3)Cl)C(=O)O

InChI

InChI=1S/C14H14ClN3O3S3/c15-9-4-3-8(23-9)6-22-12-10(13(19)20)11(24-18-12)17-14(21)16-5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,19,20)(H2,16,17,21)