2-piperazin-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-piperazin-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-piperazin-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-piperazinyl)ethyl ester IUPAC Name: 2-piperazin-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-piperazinoethyl ester Formula: C29H35N5O6S MolecularWeight: 581.6831

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NN(C(=O)S1)C(=O)OCCN2CCNCC2)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)OCCN2CCNCC2)C3=CC4=C(C=C3)N(CCC4)C(=O)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C29H35N5O6S/c1-19-26(31-34(29(37)41-19)28(36)40-16-15-32-13-10-30-11-14-32)21-6-8-23-20(17-21)5-4-12-33(23)27(35)22-7-9-24(38-2)25(18-22)39-3/h6-9,17-19,30H,4-5,10-16H2,1-3H3