ethyl 2-(1,3-benzothiazol-2-ylamino)cyclohepta[b]pyrrole-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylamino)cyclohepta[b]pyrrole-3-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylamino)cyclohepta[b]pyrrole-3-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylamino)-3-cyclohepta[b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylamino)cyclohepta[b]pyrrole-3-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylamino)cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester Formula: C19H15N3O2S MolecularWeight: 349.4063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C1=CC=CC=C2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(N=C2C1=CC=CC=C2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H15N3O2S/c1-2-24-18(23)16-12-8-4-3-5-9-13(12)20-17(16)22-19-21-14-10-6-7-11-15(14)25-19/h3-11H,2H2,1H3,(H,20,21,22)