S-ethyl 4-(methoxycarbonylamino)-2-oxidanylidene-6-[(phenylmethyl)amino]pyran-3-carbothioate

Systemtic Name: S-ethyl 4-(methoxycarbonylamino)-2-oxidanylidene-6-[(phenylmethyl)amino]pyran-3-carbothioate Openeye Name: S-ethyl 6-(benzylamino)-4-(methoxycarbonylamino)-2-oxo-pyran-3-carbothioate CAS Name: 4-(methoxycarbonylamino)-2-oxo-6-[(phenylmethyl)amino]-3-pyrancarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 6-(benzylamino)-4-(methoxycarbonylamino)-2-oxopyran-3-carbothioate Traditional Name: 6-(benzylamino)-4-(carbomethoxyamino)-2-keto-pyran-3-carbothioic acid S-ethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1=C(C=C(OC1=O)NCC2=CC=CC=C2)NC(=O)OC

Isomeric SMILES

CCSC(=O)C1=C(C=C(OC1=O)NCC2=CC=CC=C2)NC(=O)OC

InChI

InChI=1S/C17H18N2O5S/c1-3-25-16(21)14-12(19-17(22)23-2)9-13(24-15(14)20)18-10-11-7-5-4-6-8-11/h4-9,18H,3,10H2,1-2H3,(H,19,22)