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

Systemtic Name: ethyl 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-[(2-ethyl-1-piperidyl)sulfonyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-ethylpiperidin-1-yl)sulfonylbenzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(2-ethylpiperidino)sulfonylbenzoyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C27H29N3O5S2 MolecularWeight: 539.66626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OCC)CC#C

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OCC)CC#C

InChI

InChI=1S/C27H29N3O5S2/c1-4-16-29-23-15-12-20(26(32)35-6-3)18-24(23)36-27(29)28-25(31)19-10-13-22(14-11-19)37(33,34)30-17-8-7-9-21(30)5-2/h1,10-15,18,21H,5-9,16-17H2,2-3H3