methyl 2-[(3Z)-3-[(2E)-2-[3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)-1,3-benzoxazol-2-ylidene]ethylidene]indol-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[(3Z)-3-[(2E)-2-[3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)-1,3-benzoxazol-2-ylidene]ethylidene]indol-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[(3Z)-3-[(2E)-2-[3-(2-oxo-2-phenothiazin-10-yl-ethyl)-1,3-benzoxazol-2-ylidene]ethylidene]indol-1-ium-1-yl]acetate CAS Name: 2-[(3Z)-3-[(2E)-2-[3-[2-oxo-2-(10-phenothiazinyl)ethyl]-1,3-benzoxazol-2-ylidene]ethylidene]-1-indol-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(3Z)-3-[(2E)-2-[3-(2-oxo-2-phenothiazin-10-ylethyl)-1,3-benzoxazol-2-ylidene]ethylidene]indol-1-ium-1-yl]acetate Traditional Name: 2-[(3Z)-3-[(2E)-2-[3-(2-keto-2-phenothiazin-10-yl-ethyl)-1,3-benzoxazol-2-ylidene]ethylidene]indol-1-ium-1-yl]acetic acid methyl ester Formula: C34H26N3O4S+ MolecularWeight: 572.65294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CC(=CC=C2N(C3=CC=CC=C3O2)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)C7=CC=CC=C71

Isomeric SMILES

COC(=O)C[N+]1=C/C(=C\C=C\2/N(C3=CC=CC=C3O2)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)/C7=CC=CC=C71

InChI

InChI=1S/C34H26N3O4S/c1-40-34(39)22-35-20-23(24-10-2-3-11-25(24)35)18-19-33-36(26-12-4-7-15-29(26)41-33)21-32(38)37-27-13-5-8-16-30(27)42-31-17-9-6-14-28(31)37/h2-20H,21-22H2,1H3/q+1