[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C28H27NO4S MolecularWeight: 473.58328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H27NO4S/c1-17-7-2-5-12-23(17)29-25(30)15-33-26(31)16-34-24-14-13-19-18-8-3-4-9-20(18)28(32)22-11-6-10-21(24)27(19)22/h3-4,6,8-11,13-14,17,23H,2,5,7,12,15-16H2,1H3,(H,29,30)