(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester IUPAC Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester Formula: C15H15ClN2O2S MolecularWeight: 322.8098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NOC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1CCC(=NCC1)NOC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C15H15ClN2O2S/c16-13-10-6-3-4-7-11(10)21-14(13)15(19)20-18-12-8-2-1-5-9-17-12/h3-4,6-7H,1-2,5,8-9H2,(H,17,18)