ethyl 2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(3,5-dimethylpiperidino)sulfonylbenzoyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C27H29N3O5S2 MolecularWeight: 539.66626

Click to see the large picture

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)N4CC(CC(C4)C)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)N4CC(CC(C4)C)C)S2)CC#C

InChI

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