ethyl 3-[4,7-dimethoxy-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[4,7-dimethoxy-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[4,7-dimethoxy-2-[4-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4,7-dimethoxy-2-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4,7-dimethoxy-2-[4-(4-methylpiperidino)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C27H33N3O7S2 MolecularWeight: 575.69682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C)OC)OC

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C)OC)OC

InChI

InChI=1S/C27H33N3O7S2/c1-5-37-23(31)14-17-30-24-21(35-3)10-11-22(36-4)25(24)38-27(30)28-26(32)19-6-8-20(9-7-19)39(33,34)29-15-12-18(2)13-16-29/h6-11,18H,5,12-17H2,1-4H3