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

Systemtic Name: methyl 4-[2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN=C3SCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN=C3SCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H18N4O3S/c1-12-3-8-16-15(9-12)18-19(25-16)20(23-11-22-18)29-10-17(26)24-14-6-4-13(5-7-14)21(27)28-2/h3-9,11,25H,10H2,1-2H3,(H,24,26)