(5Z)-3-methyl-2-(phenylcarbonyl)-5-(2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-1-benzofuran-6-one

Systemtic Name: (5Z)-3-methyl-2-(phenylcarbonyl)-5-(2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-1-benzofuran-6-one Openeye Name: (5Z)-2-benzoyl-3-methyl-5-[2-(2-thienyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]benzofuran-6-one CAS Name: (5Z)-2-benzoyl-3-methyl-5-(2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-6-benzofuranone IUPAC Name: (5Z)-2-benzoyl-3-methyl-5-(2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-1-benzofuran-6-one Traditional Name: (5Z)-2-benzoyl-3-methyl-5-[2-(2-thienyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]benzofuran-6-one Formula: C29H21NO3S2 MolecularWeight: 495.61194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC(=O)C(=C3CC(SC4=CC=CC=C4N3)C5=CC=CS5)C=C12)C(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=C(OC2=CC(=O)/C(=C\3/CC(SC4=CC=CC=C4N3)C5=CC=CS5)/C=C12)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H21NO3S2/c1-17-19-14-20(23(31)16-24(19)33-29(17)28(32)18-8-3-2-4-9-18)22-15-27(26-12-7-13-34-26)35-25-11-6-5-10-21(25)30-22/h2-14,16,27,30H,15H2,1H3/b22-20-