methyl 2-[2-(5,6-dihydrobenzo[h]quinazolin-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-(5,6-dihydrobenzo[h]quinazolin-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-(5,6-dihydrobenzo[h]quinazolin-2-ylamino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(5,6-dihydrobenzo[h]quinazolin-2-ylamino)-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(5,6-dihydrobenzo[h]quinazolin-2-ylamino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(5,6-dihydrobenzo[h]quinazolin-2-ylamino)-2-keto-ethyl]thio]acetic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(=O)NC1=NC=C2CCC3=CC=CC=C3C2=N1

Isomeric SMILES

COC(=O)CSCC(=O)NC1=NC=C2CCC3=CC=CC=C3C2=N1

InChI

InChI=1S/C17H17N3O3S/c1-23-15(22)10-24-9-14(21)19-17-18-8-12-7-6-11-4-2-3-5-13(11)16(12)20-17/h2-5,8H,6-7,9-10H2,1H3,(H,18,19,20,21)