ethyl 2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]imino-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(3,5-dimethylpiperidino)sulfonylbenzoyl]imino-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C28H33N3O7S2 MolecularWeight: 587.70752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC(CC(C4)C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC(CC(C4)C)C

InChI

InChI=1S/C28H33N3O7S2/c1-5-37-25(32)17-31-23-12-9-21(27(34)38-6-2)14-24(23)39-28(31)29-26(33)20-7-10-22(11-8-20)40(35,36)30-15-18(3)13-19(4)16-30/h7-12,14,18-19H,5-6,13,15-17H2,1-4H3