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

Systemtic Name: ethyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylphenyl]carbonylimino-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]imino-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[(4-ethoxycarbonyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(4-carbethoxypiperazino)sulfonylbenzoyl]imino-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C27H30N4O9S2 MolecularWeight: 618.6785

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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)N4CCN(CC4)C(=O)OCC)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)N4CCN(CC4)C(=O)OCC)S2)CC(=O)OC

InChI

InChI=1S/C27H30N4O9S2/c1-4-39-25(34)19-8-11-21-22(16-19)41-26(31(21)17-23(32)38-3)28-24(33)18-6-9-20(10-7-18)42(36,37)30-14-12-29(13-15-30)27(35)40-5-2/h6-11,16H,4-5,12-15,17H2,1-3H3