2,3-dimethoxy-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzothiazepin-11-one

Systemtic Name: 2,3-dimethoxy-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzothiazepin-11-one Openeye Name: 2,3-dimethoxy-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzothiazepin-11-one CAS Name: 2,3-dimethoxy-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzothiazepin-11-one IUPAC Name: 2,3-dimethoxy-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzothiazepin-11-one Traditional Name: 2,3-dimethoxy-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzothiazepin-11-one Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N3CCCC3CS2)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N3CCCC3CS2)OC

InChI

InChI=1S/C14H17NO3S/c1-17-11-6-10-13(7-12(11)18-2)19-8-9-4-3-5-15(9)14(10)16/h6-7,9H,3-5,8H2,1-2H3