methyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylphenyl]carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylphenyl]carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[(4-ethoxycarbonyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(4-carbethoxypiperazino)sulfonylbenzoyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C26H30N4O8S2 MolecularWeight: 590.6684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CCOC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CCOC

InChI

InChI=1S/C26H30N4O8S2/c1-4-38-26(33)28-11-13-29(14-12-28)40(34,35)20-8-5-18(6-9-20)23(31)27-25-30(15-16-36-2)21-10-7-19(24(32)37-3)17-22(21)39-25/h5-10,17H,4,11-16H2,1-3H3