5-(1-benzothiophen-7-yl)-9-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Systemtic Name: 5-(1-benzothiophen-7-yl)-9-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 5-(benzothiophen-7-yl)-9-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 5-(1-benzothiophen-7-yl)-9-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 5-(1-benzothiophen-7-yl)-9-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 5-(benzothiophen-7-yl)-9-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C19H18ClNO2S MolecularWeight: 359.86972

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC4=C3SC=C4)O)O)Cl

Isomeric SMILES

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC4=C3SC=C4)O)O)Cl

InChI

InChI=1S/C19H18ClNO2S/c1-21-7-5-12-14(9-16(22)18(23)17(12)20)15(10-21)13-4-2-3-11-6-8-24-19(11)13/h2-4,6,8-9,15,22-23H,5,7,10H2,1H3