methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-2-(1,3-benzothiazol-2-ylmethyl)-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate

Systemtic Name: methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-2-(1,3-benzothiazol-2-ylmethyl)-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: methyl 4-(2-amino-2-oxo-ethyl)-2-(1,3-benzothiazol-2-ylmethyl)-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 4-(2-amino-2-oxoethyl)-2-(1,3-benzothiazol-2-ylmethyl)-1,3-dioxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-amino-2-oxoethyl)-2-(1,3-benzothiazol-2-ylmethyl)-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 4-(2-amino-2-keto-ethyl)-2-(1,3-benzothiazol-2-ylmethyl)-1,3-diketo-isoquinoline-4-carboxylic acid methyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2=CC=CC=C2C(=O)N(C1=O)CC3=NC4=CC=CC=C4S3)CC(=O)N

Isomeric SMILES

COC(=O)C1(C2=CC=CC=C2C(=O)N(C1=O)CC3=NC4=CC=CC=C4S3)CC(=O)N

InChI

InChI=1S/C21H17N3O5S/c1-29-20(28)21(10-16(22)25)13-7-3-2-6-12(13)18(26)24(19(21)27)11-17-23-14-8-4-5-9-15(14)30-17/h2-9H,10-11H2,1H3,(H2,22,25)