methyl 6-azanylpyrrolo[1,2-a][3,1]benzothiazepine-5-carboxylate

Systemtic Name: methyl 6-azanylpyrrolo[1,2-a][3,1]benzothiazepine-5-carboxylate Openeye Name: methyl 6-aminopyrrolo[1,2-a][3,1]benzothiazepine-5-carboxylate CAS Name: 6-amino-5-pyrrolo[1,2-a][3,1]benzothiazepinecarboxylic acid methyl ester IUPAC Name: methyl 6-aminopyrrolo[1,2-a][3,1]benzothiazepine-5-carboxylate Traditional Name: 6-aminopyrrolo[1,2-a][3,1]benzothiazepine-5-carboxylic acid methyl ester Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N3C=CC=C3S1)N

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N3C=CC=C3S1)N

InChI

InChI=1S/C14H12N2O2S/c1-18-14(17)13-12(15)9-5-2-3-6-10(9)16-8-4-7-11(16)19-13/h2-8H,15H2,1H3