[4-[(4-fluorophenyl)carbamoyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepin-5-yl] ethanoate

Systemtic Name: [4-[(4-fluorophenyl)carbamoyl]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepin-5-yl] ethanoate Openeye Name: [4-[(4-fluorophenyl)carbamoyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-yl] acetate CAS Name: acetic acid [4-[(4-fluoroanilino)-oxomethyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-yl] ester IUPAC Name: [4-[(4-fluorophenyl)carbamoyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-yl] acetate Traditional Name: acetic acid [4-[(4-fluorophenyl)carbamoyl]-1,1-diketo-2,3-dihydro-1$l^{6}-benzothiepin-5-yl] ester Formula: C19H16FNO5S MolecularWeight: 389.397443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(CCS(=O)(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)OC1=C(CCS(=O)(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C19H16FNO5S/c1-12(22)26-18-15-4-2-3-5-17(15)27(24,25)11-10-16(18)19(23)21-14-8-6-13(20)7-9-14/h2-9H,10-11H2,1H3,(H,21,23)