ethyl 2-[2-(3-phenothiazin-10-ylpropanoyloxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-phenothiazin-10-ylpropanoyloxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-phenothiazin-10-ylpropanoyloxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[1-oxo-3-(10-phenothiazinyl)propoxy]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-phenothiazin-10-ylpropanoyloxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-phenothiazin-10-ylpropanoyloxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H28N2O5S2 MolecularWeight: 536.66232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C28H28N2O5S2/c1-2-34-28(33)26-18-9-3-6-12-21(18)37-27(26)29-24(31)17-35-25(32)15-16-30-19-10-4-7-13-22(19)36-23-14-8-5-11-20(23)30/h4-5,7-8,10-11,13-14H,2-3,6,9,12,15-17H2,1H3,(H,29,31)