methyl 6-oxidanylidene-9-(N'-propan-2-ylcarbamimidoyl)-5H-[1]benzothiolo[2,3-c]quinoline-2-carboxylate

Systemtic Name: methyl 6-oxidanylidene-9-(N'-propan-2-ylcarbamimidoyl)-5H-[1]benzothiolo[2,3-c]quinoline-2-carboxylate Openeye Name: methyl 9-(N'-isopropylcarbamimidoyl)-6-oxo-5H-benzothiopheno[2,3-c]quinoline-2-carboxylate CAS Name: 9-[amino(propan-2-ylimino)methyl]-6-oxo-5H-[1]benzothiolo[2,3-c]quinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 6-oxo-9-(N'-propan-2-ylcarbamimidoyl)-5H-[1]benzothiolo[2,3-c]quinoline-2-carboxylate Traditional Name: 9-(N'-isopropylamidino)-6-keto-5H-benzothiopheno[2,3-c]quinoline-2-carboxylic acid methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(C1=CC2=C(C=C1)C3=C(S2)C(=O)NC4=C3C=C(C=C4)C(=O)OC)N

Isomeric SMILES

CC(C)N=C(C1=CC2=C(C=C1)C3=C(S2)C(=O)NC4=C3C=C(C=C4)C(=O)OC)N

InChI

InChI=1S/C21H19N3O3S/c1-10(2)23-19(22)11-4-6-13-16(9-11)28-18-17(13)14-8-12(21(26)27-3)5-7-15(14)24-20(18)25/h4-10H,1-3H3,(H2,22,23)(H,24,25)