3-pyrrolidin-1-ylpropyl 5-[1-(3,4-dimethoxyphenyl)carbonyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-oxidanylidene-6H-1,3,4-thiadiazine-3-carboxylate

Systemtic Name: 3-pyrrolidin-1-ylpropyl 5-[1-(3,4-dimethoxyphenyl)carbonyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-oxidanylidene-6H-1,3,4-thiadiazine-3-carboxylate Openeye Name: 3-pyrrolidin-1-ylpropyl 5-[1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-oxo-6H-1,3,4-thiadiazine-3-carboxylate CAS Name: 5-[1-[(3,4-dimethoxyphenyl)-oxomethyl]-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-oxo-6H-1,3,4-thiadiazine-3-carboxylic acid 3-(1-pyrrolidinyl)propyl ester IUPAC Name: 3-pyrrolidin-1-ylpropyl 5-[1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-2-oxo-6H-1,3,4-thiadiazine-3-carboxylate Traditional Name: 2-keto-6-methyl-5-(1-veratroyl-3,4-dihydro-2H-quinolin-6-yl)-6H-1,3,4-thiadiazine-3-carboxylic acid 3-pyrrolidinopropyl ester Formula: C30H36N4O6S MolecularWeight: 580.69504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NN(C(=O)S1)C(=O)OCCCN2CCCC2)C3=CC4=C(C=C3)N(CCC4)C(=O)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1C(=NN(C(=O)S1)C(=O)OCCCN2CCCC2)C3=CC4=C(C=C3)N(CCC4)C(=O)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C30H36N4O6S/c1-20-27(31-34(30(37)41-20)29(36)40-17-7-15-32-13-4-5-14-32)22-9-11-24-21(18-22)8-6-16-33(24)28(35)23-10-12-25(38-2)26(19-23)39-3/h9-12,18-20H,4-8,13-17H2,1-3H3