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

Systemtic Name: methyl 6-oxidanylidene-2-(N'-propan-2-ylcarbamimidoyl)-5H-[1]benzothiolo[2,3-c]quinoline-9-carboxylate Openeye Name: methyl 2-(N'-isopropylcarbamimidoyl)-6-oxo-5H-benzothiopheno[2,3-c]quinoline-9-carboxylate CAS Name: 2-[amino(propan-2-ylimino)methyl]-6-oxo-5H-[1]benzothiolo[2,3-c]quinoline-9-carboxylic acid methyl ester IUPAC Name: methyl 6-oxo-2-(N'-propan-2-ylcarbamimidoyl)-5H-[1]benzothiolo[2,3-c]quinoline-9-carboxylate Traditional Name: 2-(N'-isopropylamidino)-6-keto-5H-benzothiopheno[2,3-c]quinoline-9-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)NC(=O)C3=C2C4=C(S3)C=C(C=C4)C(=O)OC)N

Isomeric SMILES

CC(C)N=C(C1=CC2=C(C=C1)NC(=O)C3=C2C4=C(S3)C=C(C=C4)C(=O)OC)N

InChI

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