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

Systemtic Name: ethyl 2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]imino-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(3,5-dimethylpiperidino)sulfonylbenzoyl]imino-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C27H31N3O7S2 MolecularWeight: 573.68094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC(CC(C4)C)C)S2)CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC(CC(C4)C)C)S2)CC(=O)OC

InChI

InChI=1S/C27H31N3O7S2/c1-5-37-26(33)20-8-11-22-23(13-20)38-27(30(22)16-24(31)36-4)28-25(32)19-6-9-21(10-7-19)39(34,35)29-14-17(2)12-18(3)15-29/h6-11,13,17-18H,5,12,14-16H2,1-4H3