2-(1,3-benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(3-methoxyanilino)-3-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(3-methoxyanilino)-3-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(3-methoxyanilino)-3-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylprop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-3-(m-anisidino)acrylonitrile Formula: C31H22N4O2S3 MolecularWeight: 578.72698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=C(C#N)C2=NC3=CC=CC=C3S2)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

COC1=CC=CC(=C1)NC(=C(C#N)C2=NC3=CC=CC=C3S2)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C31H22N4O2S3/c1-37-21-10-8-9-20(17-21)33-30(22(18-32)31-34-23-11-2-5-14-26(23)40-31)38-19-29(36)35-24-12-3-6-15-27(24)39-28-16-7-4-13-25(28)35/h2-17,33H,19H2,1H3