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

Systemtic Name: ethyl 2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-[(3-methyl-1-piperidyl)sulfonyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(3-methylpiperidino)sulfonylbenzoyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H27N3O5S2 MolecularWeight: 525.63968

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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)N4CCCC(C4)C)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC(C4)C)S2)CC#C

InChI

InChI=1S/C26H27N3O5S2/c1-4-14-29-22-13-10-20(25(31)34-5-2)16-23(22)35-26(29)27-24(30)19-8-11-21(12-9-19)36(32,33)28-15-6-7-18(3)17-28/h1,8-13,16,18H,5-7,14-15,17H2,2-3H3