(4S)-2-azanyl-1-(4-methoxyphenyl)-4-(5-nitrothiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-1-(4-methoxyphenyl)-4-(5-nitrothiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-2-amino-1-(4-methoxyphenyl)-4-(5-nitro-2-thienyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-2-amino-1-(4-methoxyphenyl)-4-(5-nitro-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-2-amino-1-(4-methoxyphenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-2-amino-5-keto-1-(4-methoxyphenyl)-4-(5-nitro-2-thienyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H18N4O4S MolecularWeight: 422.45702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)[N+](=O)[O-])C(=O)CCC3

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C([C@H](C(=C2N)C#N)C4=CC=C(S4)[N+](=O)[O-])C(=O)CCC3

InChI

InChI=1S/C21H18N4O4S/c1-29-13-7-5-12(6-8-13)24-15-3-2-4-16(26)20(15)19(14(11-22)21(24)23)17-9-10-18(30-17)25(27)28/h5-10,19H,2-4,23H2,1H3/t19-/m1/s1