ethyl (4S)-2-azanyl-4-(5-tert-butylthiophen-2-yl)-1-(4-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-(5-tert-butylthiophen-2-yl)-1-(4-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(5-tert-butyl-2-thienyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2-amino-4-(5-tert-butyl-2-thiophenyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(5-tert-butylthiophen-2-yl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-2-amino-4-(5-tert-butyl-2-thienyl)-5-keto-1-(4-nitrophenyl)-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(S3)C(C)(C)C)C(=O)CCC2)C4=CC=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C([C@@H]1C3=CC=C(S3)C(C)(C)C)C(=O)CCC2)C4=CC=C(C=C4)[N+](=O)[O-])N

InChI

InChI=1S/C26H29N3O5S/c1-5-34-25(31)23-22(19-13-14-20(35-19)26(2,3)4)21-17(7-6-8-18(21)30)28(24(23)27)15-9-11-16(12-10-15)29(32)33/h9-14,22H,5-8,27H2,1-4H3/t22-/m0/s1