dimethyl-[(3Z)-3-(2-methyl-5-oxidanylidene-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: dimethyl-[(3Z)-3-(2-methyl-5-oxidanylidene-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: dimethyl-[(3Z)-3-(2-methyl-5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: dimethyl-[(3Z)-3-(2-methyl-5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: dimethyl-[(3Z)-3-(2-methyl-5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; [(3Z)-3-(5-keto-2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethyl-ammonium Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)S(=O)CC3=CC=CC=C3C2=CCC[NH+](C)C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC\2=C(C=C1)S(=O)CC3=CC=CC=C3/C2=C/CC[NH+](C)C.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C20H23NOS.C4H4O4/c1-15-10-11-20-19(13-15)18(9-6-12-21(2)3)17-8-5-4-7-16(17)14-23(20)22;5-3(6)1-2-4(7)8/h4-5,7-11,13H,6,12,14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b18-9-;2-1-