4-[(4Z)-4-indol-3-ylidene-3,5-dihydro-2H-1,5-benzothiazepin-2-yl]-2-methoxy-phenol

Systemtic Name: 4-[(4Z)-4-indol-3-ylidene-3,5-dihydro-2H-1,5-benzothiazepin-2-yl]-2-methoxy-phenol Openeye Name: 4-[(4Z)-4-indol-3-ylidene-3,5-dihydro-2H-1,5-benzothiazepin-2-yl]-2-methoxy-phenol CAS Name: 4-[(4Z)-4-(3-indolylidene)-3,5-dihydro-2H-1,5-benzothiazepin-2-yl]-2-methoxyphenol IUPAC Name: 4-[(4Z)-4-indol-3-ylidene-3,5-dihydro-2H-1,5-benzothiazepin-2-yl]-2-methoxyphenol Traditional Name: 4-[(4Z)-4-indol-3-ylidene-3,5-dihydro-2H-1,5-benzothiazepin-2-yl]-2-methoxy-phenol Formula: C24H20N2O2S MolecularWeight: 400.4928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CC(=C3C=NC4=CC=CC=C43)NC5=CC=CC=C5S2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C/C(=C\3/C=NC4=CC=CC=C43)/NC5=CC=CC=C5S2)O

InChI

InChI=1S/C24H20N2O2S/c1-28-22-12-15(10-11-21(22)27)24-13-20(26-19-8-4-5-9-23(19)29-24)17-14-25-18-7-3-2-6-16(17)18/h2-12,14,24,26-27H,13H2,1H3/b20-17+