methyl 4-azanyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-azanyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-amino-3-[2-(p-tolylsulfonylamino)ethyl]-2-thioxo-thiazole-5-carboxylate CAS Name: 4-amino-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-sulfanylidene-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-sulfanylidene-1,3-thiazole-5-carboxylate Traditional Name: 4-amino-2-thioxo-3-[2-(tosylamino)ethyl]-4-thiazoline-5-carboxylic acid methyl ester Formula: C14H17N3O4S3 MolecularWeight: 387.49748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCN2C(=C(SC2=S)C(=O)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCN2C(=C(SC2=S)C(=O)OC)N

InChI

InChI=1S/C14H17N3O4S3/c1-9-3-5-10(6-4-9)24(19,20)16-7-8-17-12(15)11(13(18)21-2)23-14(17)22/h3-6,16H,7-8,15H2,1-2H3