2-pyrrolidin-1-ylethyl 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: 2-pyrrolidin-1-ylethyl 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: 2-pyrrolidin-1-ylethyl 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 2-(1-pyrrolidinyl)ethyl ester IUPAC Name: 2-pyrrolidin-1-ylethyl 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 2-pyrrolidinoethyl ester Formula: C29H34N4O6S MolecularWeight: 566.66846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NN(C(=O)S1)C(=O)OCCN2CCCC2)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)OCCN2CCCC2)C3=CC4=C(C=C3)N(CCC4)C(=O)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C29H34N4O6S/c1-19-26(30-33(29(36)40-19)28(35)39-16-15-31-12-4-5-13-31)21-8-10-23-20(17-21)7-6-14-32(23)27(34)22-9-11-24(37-2)25(18-22)38-3/h8-11,17-19H,4-7,12-16H2,1-3H3