ethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H16N2O3S3 MolecularWeight: 392.51554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C17H16N2O3S3/c1-3-22-16(21)15-10(2)8-14(25-15)19-13(20)9-23-17-18-11-6-4-5-7-12(11)24-17/h4-8H,3,9H2,1-2H3,(H,19,20)