[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C24H23N3O8S2 MolecularWeight: 545.58472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H23N3O8S2/c1-34-21-13-17(27(30)31)8-9-19(21)25-22(28)15-35-23(29)14-20-18-6-3-2-5-16(18)10-11-26(20)37(32,33)24-7-4-12-36-24/h2-9,12-13,20H,10-11,14-15H2,1H3,(H,25,28)