ethyl (Z,4E)-2-isocyano-4-(2-phenyl-1,4$l^{4}-benzoxathiin-4-ylidene)but-2-enoate

Systemtic Name: ethyl (Z,4E)-2-isocyano-4-(2-phenyl-1,4$l^{4}-benzoxathiin-4-ylidene)but-2-enoate Openeye Name: ethyl (Z,4E)-2-isocyano-4-(2-phenyl-1,4$l^{4}-benzoxathiin-4-ylidene)but-2-enoate CAS Name: (Z,4E)-2-isocyano-4-(2-phenyl-1,4$l^{4}-benzoxathiin-4-ylidene)-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z,4E)-2-isocyano-4-(2-phenyl-1,4$l^{4}-benzoxathiin-4-ylidene)but-2-enoate Traditional Name: (Z,4E)-2-isocyano-4-(2-phenyl-1,4$l^{4}-benzoxathiin-4-ylidene)but-2-enoic acid ethyl ester Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=S1C=C(OC2=CC=CC=C21)C3=CC=CC=C3)[N+]#[C-]

Isomeric SMILES

CCOC(=O)/C(=C/C=S/1\C=C(OC2=CC=CC=C21)C3=CC=CC=C3)/[N+]#[C-]

InChI

InChI=1S/C21H17NO3S/c1-3-24-21(23)17(22-2)13-14-26-15-19(16-9-5-4-6-10-16)25-18-11-7-8-12-20(18)26/h4-15H,3H2,1H3/b17-13-