(6aS,7S)-2-methyl-7-thiophen-2-yl-6a,7-dihydro-6H-chromeno[3,4-c][1,5]benzothiazepine

Systemtic Name: (6aS,7S)-2-methyl-7-thiophen-2-yl-6a,7-dihydro-6H-chromeno[3,4-c][1,5]benzothiazepine Openeye Name: (6aS,7S)-2-methyl-7-(2-thienyl)-6a,7-dihydro-6H-chromeno[3,4-c][1,5]benzothiazepine CAS Name: (6aS,7S)-2-methyl-7-thiophen-2-yl-6a,7-dihydro-6H-[1]benzopyrano[3,4-c][1,5]benzothiazepine IUPAC Name: (6aS,7S)-2-methyl-7-thiophen-2-yl-6a,7-dihydro-6H-chromeno[3,4-c][1,5]benzothiazepine Traditional Name: (6aS,7S)-2-methyl-7-(2-thienyl)-6a,7-dihydro-6H-chromeno[3,4-c][1,5]benzothiazepine Formula: C21H17NOS2 MolecularWeight: 363.49578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC3C2=NC4=CC=CC=C4SC3C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)OC[C@@H]3C2=NC4=CC=CC=C4S[C@@H]3C5=CC=CS5

InChI

InChI=1S/C21H17NOS2/c1-13-8-9-17-14(11-13)20-15(12-23-17)21(19-7-4-10-24-19)25-18-6-3-2-5-16(18)22-20/h2-11,15,21H,12H2,1H3/t15-,21+/m1/s1