(2S)-2-(7-chloranyl-1,3-benzodioxol-5-yl)-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: (2S)-2-(7-chloranyl-1,3-benzodioxol-5-yl)-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Openeye Name: (2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: (2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine IUPAC Name: (2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Traditional Name: (2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine Formula: C20H14ClNO2S2 MolecularWeight: 399.91366

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C3C=C(NC4=CC=CC=C4S3)C5=CC=CS5)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)[C@@H]3C=C(NC4=CC=CC=C4S3)C5=CC=CS5)Cl

InChI

InChI=1S/C20H14ClNO2S2/c21-13-8-12(9-16-20(13)24-11-23-16)19-10-15(17-6-3-7-25-17)22-14-4-1-2-5-18(14)26-19/h1-10,19,22H,11H2/t19-/m0/s1