[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 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-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 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-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C29H30N2O5S2 MolecularWeight: 550.6889

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)CC3C4=CC=CC=C4CCN3S(=O)(=O)C5=CC=CS5)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)CC3C4=CC=CC=C4CCN3S(=O)(=O)C5=CC=CS5)C)C

InChI

InChI=1S/C29H30N2O5S2/c1-29(2)23-11-6-7-12-24(23)30(3)26(29)17-21(32)19-36-27(33)18-25-22-10-5-4-9-20(22)14-15-31(25)38(34,35)28-13-8-16-37-28/h4-13,16-17,25H,14-15,18-19H2,1-3H3