(4S)-2-(4-ethoxyphenyl)-4-[[(1R)-1-thiophen-2-ylethyl]iminomethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(4-ethoxyphenyl)-4-[[(1R)-1-thiophen-2-ylethyl]iminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(4-ethoxyphenyl)-4-[[(1R)-1-(2-thienyl)ethyl]iminomethyl]-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(4-ethoxyphenyl)-4-[[(1R)-1-thiophen-2-ylethyl]iminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(4-ethoxyphenyl)-4-[[(1R)-1-thiophen-2-ylethyl]iminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-p-phenetyl-4-[[(1R)-1-(2-thienyl)ethyl]iminomethyl]-4H-isoquinoline-1,3-quinone Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NC(C)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=N[C@H](C)C4=CC=CS4

InChI

InChI=1S/C24H22N2O3S/c1-3-29-18-12-10-17(11-13-18)26-23(27)20-8-5-4-7-19(20)21(24(26)28)15-25-16(2)22-9-6-14-30-22/h4-16,21H,3H2,1-2H3/t16-,21-/m1/s1