(8Z)-8-(8-chloranyl-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-4-methyl-chromene-2,7-dione

Systemtic Name: (8Z)-8-(8-chloranyl-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-4-methyl-chromene-2,7-dione Openeye Name: (8Z)-8-(8-chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-4-methyl-chromene-2,7-dione CAS Name: (8Z)-8-(8-chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-4-methyl-1-benzopyran-2,7-dione IUPAC Name: (8Z)-8-(8-chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-4-methylchromene-2,7-dione Traditional Name: (8Z)-8-(8-chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-4-methyl-chromene-2,7-quinone Formula: C25H18ClNO3S MolecularWeight: 447.93332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=O)C2=C3CC(SC4=C(N3)C=CC(=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)OC\2=C1C=CC(=O)/C2=C\3/CC(SC4=C(N3)C=CC(=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H18ClNO3S/c1-14-11-23(29)30-25-17(14)8-10-20(28)24(25)19-13-21(15-5-3-2-4-6-15)31-22-12-16(26)7-9-18(22)27-19/h2-12,21,27H,13H2,1H3/b24-19+