ethyl 2-(phenothiazin-10-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(phenothiazin-10-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(phenothiazine-10-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo(10-phenothiazinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(phenothiazine-10-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(phenothiazine-10-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H22N2O3S2 MolecularWeight: 450.57308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C24H22N2O3S2/c1-2-29-23(27)21-15-9-3-6-12-18(15)31-22(21)25-24(28)26-16-10-4-7-13-19(16)30-20-14-8-5-11-17(20)26/h4-5,7-8,10-11,13-14H,2-3,6,9,12H2,1H3,(H,25,28)