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

Systemtic Name: ethyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylphenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[(4-ethoxycarbonyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(4-carbethoxypiperazino)sulfonylbenzoyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C27H28N4O7S2 MolecularWeight: 584.66382

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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#C

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#C

InChI

InChI=1S/C27H28N4O7S2/c1-4-13-31-22-12-9-20(25(33)37-5-2)18-23(22)39-26(31)28-24(32)19-7-10-21(11-8-19)40(35,36)30-16-14-29(15-17-30)27(34)38-6-3/h1,7-12,18H,5-6,13-17H2,2-3H3