[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2S,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2S,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] (2S,3S)-2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxylate CAS Name: (2S,3S)-2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxylic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate Traditional Name: (2S,3S)-2,3-dimethylcoumaran-7-carboxylic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(C=CC=C12)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N)C

Isomeric SMILES

C[C@@H]1[C@@H](OC2=C(C=CC=C12)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N)C

InChI

InChI=1S/C18H18N2O5S/c1-9-10(2)25-15-11(9)4-3-5-12(15)18(23)24-8-14(21)20-17-13(16(19)22)6-7-26-17/h3-7,9-10H,8H2,1-2H3,(H2,19,22)(H,20,21)/t9-,10+/m1/s1