9-ethylsulfanyl-1-prop-2-enyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one

Systemtic Name: 9-ethylsulfanyl-1-prop-2-enyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one Openeye Name: 1-allyl-9-ethylsulfanyl-3,4-dihydro-2H-benzothiopheno[3,2-e][1,4]diazepin-5-one CAS Name: 9-(ethylthio)-1-prop-2-enyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one IUPAC Name: 9-ethylsulfanyl-1-prop-2-enyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one Traditional Name: 1-allyl-9-(ethylthio)-3,4-dihydro-2H-benzothiopheno[3,2-e][1,4]diazepin-5-one Formula: C16H18N2OS2 MolecularWeight: 318.45692

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC2=C(C=C1)SC3=C2N(CCNC3=O)CC=C

Isomeric SMILES

CCSC1=CC2=C(C=C1)SC3=C2N(CCNC3=O)CC=C

InChI

InChI=1S/C16H18N2OS2/c1-3-8-18-9-7-17-16(19)15-14(18)12-10-11(20-4-2)5-6-13(12)21-15/h3,5-6,10H,1,4,7-9H2,2H3,(H,17,19)