ethyl 4-[2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(8-methyl-5H-pyrimid[5,4-b]indol-4-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2NC4=C3C=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2NC4=C3C=C(C=C4)C

InChI

InChI=1S/C22H20N4O3S/c1-3-29-22(28)14-5-7-15(8-6-14)25-18(27)11-30-21-20-19(23-12-24-21)16-10-13(2)4-9-17(16)26-20/h4-10,12,26H,3,11H2,1-2H3,(H,25,27)