(phenylmethyl) 2-[(4-oxidanylidene-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(4-oxidanylidene-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetate CAS Name: 2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-3-phenyl-5H-pyrimid[5,4-b]indol-2-yl)thio]acetic acid benzyl ester Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53

InChI

InChI=1S/C25H19N3O3S/c29-21(31-15-17-9-3-1-4-10-17)16-32-25-27-22-19-13-7-8-14-20(19)26-23(22)24(30)28(25)18-11-5-2-6-12-18/h1-14,26H,15-16H2