2-methylpropyl (4S,7R)-4-(5-ethylthiophen-2-yl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: 2-methylpropyl (4S,7R)-4-(5-ethylthiophen-2-yl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: isobutyl (4S,7R)-4-(5-ethyl-2-thienyl)-2-methyl-5-oxo-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(5-ethyl-2-thiophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4S,7R)-4-(5-ethylthiophen-2-yl)-2-methyl-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(5-ethyl-2-thienyl)-5-keto-2-methyl-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid isobutyl ester Formula: C25H29NO3S2 MolecularWeight: 455.63266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2C3C(=NC(=C2C(=O)OCC(C)C)C)CC(CC3=O)C4=CC=CS4

Isomeric SMILES

CCC1=CC=C(S1)[C@H]2C3C(=NC(=C2C(=O)OCC(C)C)C)C[C@H](CC3=O)C4=CC=CS4

InChI

InChI=1S/C25H29NO3S2/c1-5-17-8-9-21(31-17)24-22(25(28)29-13-14(2)3)15(4)26-18-11-16(12-19(27)23(18)24)20-7-6-10-30-20/h6-10,14,16,23-24H,5,11-13H2,1-4H3/t16-,23?,24-/m1/s1