methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxy-2-oxo-ethyl)-2-[4-[(2-ethyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxy-2-oxoethyl)-2-[4-(2-ethylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-[4-(2-ethylpiperidino)sulfonylbenzoyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C27H31N3O7S2 MolecularWeight: 573.68094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CC(=O)OCC

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CC(=O)OCC

InChI

InChI=1S/C27H31N3O7S2/c1-4-20-8-6-7-15-30(20)39(34,35)21-12-9-18(10-13-21)25(32)28-27-29(17-24(31)37-5-2)22-14-11-19(26(33)36-3)16-23(22)38-27/h9-14,16,20H,4-8,15,17H2,1-3H3