ethyl 2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H17ClN2O3S3 MolecularWeight: 440.98718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C18H17ClN2O3S3/c1-4-24-17(23)15-9(2)10(3)26-16(15)21-14(22)8-25-18-20-12-7-11(19)5-6-13(12)27-18/h5-7H,4,8H2,1-3H3,(H,21,22)