ethyl 2-[(3-bromophenyl)carbamothioylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

Systemtic Name: ethyl 2-[(3-bromophenyl)carbamothioylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 2-[(3-bromophenyl)carbamothioylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 2-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromophenyl)carbamothioylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 2-[(3-bromophenyl)thiocarbamoylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C19H21BrN2O3S2 MolecularWeight: 469.41564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H21BrN2O3S2/c1-4-24-17(23)15-13-9-19(2,3)25-10-14(13)27-16(15)22-18(26)21-12-7-5-6-11(20)8-12/h5-8H,4,9-10H2,1-3H3,(H2,21,22,26)