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

Systemtic Name: methyl 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-[4-[(2-ethyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-ethylpiperidin-1-yl)sulfonylbenzoyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-[4-(2-ethylpiperidino)sulfonylbenzoyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C26H29N3O5S2 MolecularWeight: 527.65556

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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)OC)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)OC)CC=C

InChI

InChI=1S/C26H29N3O5S2/c1-4-15-28-22-14-11-19(25(31)34-3)17-23(22)35-26(28)27-24(30)18-9-12-21(13-10-18)36(32,33)29-16-7-6-8-20(29)5-2/h4,9-14,17,20H,1,5-8,15-16H2,2-3H3